1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol

C20H38O — CID 15918322

IUPAC1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
SMILESCCCCCC1(O)CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H38O/c1-3-5-6-14-20(21)15-12-19(13-16-20)18-10-8-17(7-4-2)9-11-18/h17-19,21H,3-16H2,1-2H3
InChIKeyJOXYZWQCRYVYKJ-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.09
Rot. Bonds7

About 1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol

1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol (PubChem CID 15918322) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
PubChem CID15918322
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
SMILESCCCCCC1(O)CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H38O/c1-3-5-6-14-20(21)15-12-19(13-16-20)18-10-8-17(7-4-2)9-11-18/h17-19,21H,3-16H2,1-2H3
InChIKeyJOXYZWQCRYVYKJ-UHFFFAOYSA-N
XLogP6.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol?
The IUPAC name of 1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol (CID 15918322) is 1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol is CCCCCC1(O)CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol?
The InChIKey is JOXYZWQCRYVYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-3-5-6-14-20(21)15-12-19(13-16-20)18-10-8-17(7-4-2)9-11-18/h17-19,21H,3-16H2,1-2H3.
What are the key properties of 1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol?
1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol has a molecular weight of 294.52 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(4-propylcyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 15918322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).